arXiv subjects

Gargee Bhattacharyya

Publications and source records attributed to Gargee Bhattacharyya.

3 recordsLinked to original sources

arXiv2022

One-dimensional electronic states in a natural misfit structure

Misfit compounds are thermodynamically stable stacks of two-dimensional materials, forming a three-dimensional structure that remains incommensurate in one direction parallel to the layers. As a consequence, no true bonding is expected between the layers, with their interaction being dominated by charge transfer. In contrast to this well-established picture, we show that interlayer coupling can strongly influence the electronic properties of one type of layer in a misfit structure, in a similar way to the creation of modified band structures in an artificial moiré structure between two-dimensional materials. Using angle-resolved photoemission spectroscopy with a micron-scale light focus, we selectively probe the electronic properties of hexagonal NbSe$_2$ and square BiSe layers that terminate the surface of the (BiSe)$_{1+δ}$NbSe$_2$ misfit compound. We show that the band structure in the BiSe layers is strongly affected by the presence of the hexagonal NbSe$_2$ layers, leading to quasi one-dimensional electronic features. The electronic structure of the NbSe$_2$ layers, on the other hand, is hardly influenced by the presence of the BiSe. Using density functional theory calculations of the unfolded band structures, we argue that the preferred modification of one type of bands is mainly due to the atomic and orbital character of the states involved, opening a promising way to design novel electronic states that exploit the partially incommensurate character of the misfit compounds.

cond-mat.mtrl-sci↗

arXiv2021

Quantum-embedding description of the Anderson lattice model with the ghost Gutzwiller Approximation

We present benchmark calculations of the Anderson lattice model based on the recently-developed "ghost Gutzwiller approximation". Our analysis shows that, in some parameters regimes, the predictions of the standard Gutzwiller approximation can be incorrect by orders of magnitude for this model. We show that this is caused by the inability of this method to describe simultaneously the Mott physics and the hybridization between correlated and itinerant degrees of freedom (whose interplay often governs the metal-insulator transition in real materials). Finally, we show that the ghost Gutzwiller approximation solves this problem, providing us with results in remarkable agreement with dynamical mean field theory throughout the entire phase diagram, while being much less computationally demanding. We provide an analytical explanation of these findings and discuss their implications within the context of ab-initio computation of strongly-correlated matter.

cond-mat.str-el↗

arXiv2020

Electronic Transport through DNA Nucleotides in a BC$_3$ Nanogap for Rapid DNA Sequencing

Recently solid state nanopores nanogaps have generated a lot of interest in ultrafast DNA sequencing. However, there are challenges to slow down the DNA translocation process to achieve a single nucleobase resolution. A series of computational tools have been used in an attempt to study the DNA translocations in several model systems. The prospect of finding an efficient nanoelectrode for such human genome sequencing might offer an entirely innovative way of preventive health care. Here, we have studied the performance of a boron carbide BC$_3$ based nanogap setup for DNA sequencing using the density functional theory and non equilibrium Greens function-based methods. The electric current variations under different applied bias voltages are found to be significant due to changes in the nucleotides orientation and lateral position and can even outperform graphene. Computed relatively lower interaction energy for BC$_3$ electrodes compared to graphene electrodes indicates that BC$_3$ is a better nanoelectrode for DNA sequencing. From our results, we have found that the unique identification of all four nucleotides possible in the 0.3 to 0.4 V bias region. Furthermore, each of the four nucleotides exhibits around one order of current difference, which makes it possible to identify all four nucleotides uniquely. Thus, we believe that BC$_3$ based nanoelectrodes may be utilized toward the development of a practical nanodevice for DNA sequencing.

physics.app-ph↗